Table 5.

Optimized values of δω and $R_2^0$ for Ca²⁺-S100B ± TRTK-12 ^a, ^b, ^c

Residues with Rex	δω (Hz)	$R_2^0{}_{600}({\mathrm{s}}^{-1})$	$R_2^0{}_{800}({\mathrm{s}}^{-1})$	χ2/N d
Ca2+-S100B
9	46.91 ± 12.9	14.90 ± 0.12	18.42 ± 0.46	1.52
41	49.61 ± 6.10	13.93 ± 1.09	16.78 ± 1.99	0.40
42	96.97 ± 38.6	15.42 ± 0.19	20.55 ± 0.36	0.37
43	70.29 ± 9.60	13.46 ± 0.20	17.42 ± 0.38	0.63
44	103.5 ± 5.60	14.78 ± 0.03	16.86 ± 0.15	0.61
46	72.99 ± 12.9	13.06 ± 0.04	17.29 ± 0.54	0.29
59	83.93 ± 9.30	13.73 ± 0.21	17.96 ± 0.47	1.32
75	70.53 ± 11.1	13.80 ± 0.51	17.00 ± 0.94	0.89
76	83.06 ± 2.20	13.07 ± 0.23	15.83 ± 0.63	0.52
81	117.4 ± 21.0	16.76 ± 0.75	19.73 ± 1.28	0.25
82	132.4 ± 31.1	19.78 ± 0.22	25.39 ± 0.15	0.14
83	86.79 ± 3.90	14.22 ± 0.10	18.95 ± 0.36	0.48
84	70.05 ± 10.0	15.45 ± 0.28	18.74 ± 0.55	0.39
86	66.37 ± 11.4	14.45 ± 0.19	21.52 ± 0.57	0.84
87	69.80 ± 2.10	13.48 ± 0.06	16.87 ± 0.18	0.34
Ca2+-S100B + TRTK
41	58.92 ± 13.4	13.96 ± 0.44	18.70 ± 0.02	0.45
76	115.1 ± 6.40	12.84 ± 1.12	19.03 ± 0.61	0.34

^aThe values for δω and $R_2^0$ were independently obtained by holding the global parameters of τ_ex and p_a fixed to 0.880 ± 0.35 ms and 0.979 ± 0.001 for Ca²⁺-bound S100B.

^bThe values for δω and $R_2^0$ were independently obtained by holding the global parameters of τ_ex and p_a fixed to 0.880 ± 0.14 ms and 0.986 ± 0.001 for Ca²⁺-loaded S100B + TRTK-12.

^cThe uncertainties for each value was calculated from the Monte-Carlo simulations using the above τ_ex and p_a values as initial parameters.

^dThe χ² values listed here are normalized with respect to the number of degrees of freedom.